N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H34FN3O3 MolecularWeight: 455.564863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCN3CCCCCC3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCN3CCCCCC3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H34FN3O3/c1-32-23-17-20-11-15-30(26(31)28-12-16-29-13-5-3-4-6-14-29)25(22(20)18-24(23)33-2)19-7-9-21(27)10-8-19/h7-10,17-18,25H,3-6,11-16H2,1-2H3,(H,28,31)